2-fluoro-5-methyl-N-[3-(1H-pyrazol-5-yl)phenyl]benzenesulfonamide

C16H14FN3O2S — CID 47062850

IUPAC2-fluoro-5-methyl-N-[3-(1H-pyrazol-5-yl)phenyl]benzenesulfonamide
SMILESCc1ccc(F)c(S(=O)(=O)Nc2cccc(-c3ccn[nH]3)c2)c1
InChIInChI=1S/C16H14FN3O2S/c1-11-5-6-14(17)16(9-11)23(21,22)20-13-4-2-3-12(10-13)15-7-8-18-19-15/h2-10,20H,1H3,(H,18,19)
InChIKeyBFDWGDGUIGRTSB-UHFFFAOYSA-N
MW331.37 g/mol
LogP3.33
Rot. Bonds4

About 2-fluoro-5-methyl-N-[3-(1H-pyrazol-5-yl)phenyl]benzenesulfonamide

2-fluoro-5-methyl-N-[3-(1H-pyrazol-5-yl)phenyl]benzenesulfonamide (PubChem CID 47062850) has the molecular formula C16H14FN3O2S and a molecular weight of 331.37 g/mol. Its IUPAC name is 2-fluoro-5-methyl-N-[3-(1H-pyrazol-5-yl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name2-fluoro-5-methyl-N-[3-(1H-pyrazol-5-yl)phenyl]benzenesulfonamide
PubChem CID47062850
Molecular FormulaC16H14FN3O2S
Molecular Weight331.37 g/mol
Exact Mass331.08
IUPAC Name2-fluoro-5-methyl-N-[3-(1H-pyrazol-5-yl)phenyl]benzenesulfonamide
SMILESCc1ccc(F)c(S(=O)(=O)Nc2cccc(-c3ccn[nH]3)c2)c1
InChIInChI=1S/C16H14FN3O2S/c1-11-5-6-14(17)16(9-11)23(21,22)20-13-4-2-3-12(10-13)15-7-8-18-19-15/h2-10,20H,1H3,(H,18,19)
InChIKeyBFDWGDGUIGRTSB-UHFFFAOYSA-N
XLogP3.33
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.37
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1H-indazol-6-yl)benzenesulfonamide
CID 2444871
3,5-dimethyl-N-(3-methylphenyl)-1H-pyrazole-4-sulfonamide
CID 866901
N-cyclopropyl-3-(6-fluoro-1H-indazol-3-yl)benzenesulfonamide
CID 164613623
3-(6-fluoro-1H-indazol-3-yl)-N-phenylbenzenesulfonamide
CID 164619084
3-[4-(5-phenyl-1H-pyrazol-4-yl)phenyl]benzenesulfonamide
CID 166490769
4-fluoro-N-1H-indazol-7-ylbenzenesulfonamide
CID 1507303
N-(3,5-dimethylphenyl)-2-methyl-5-(5-methyl-1H-pyrazol-3-yl)benzenesulfonamide
CID 50792315
trans-N-(4-((R)-1-amino-2-(2,5-difluorophenyl)ethyl)cyclohexyl)-N,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 53325446
N-(1H-indazol-6-yl)-2,5-dimethylbenzenesulfonamide
CID 2091318
N-(1H-indazol-6-yl)-3,4-dimethylbenzenesulfonamide
CID 2517424
N-(1H-indazol-5-yl)benzenesulfonamide
CID 4142281
3-(6-fluoro-1H-indazol-3-yl)benzenesulfonamide
CID 155424834

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-methyl-N-[3-(1H-pyrazol-5-yl)phenyl]benzenesulfonamide?
The IUPAC name of 2-fluoro-5-methyl-N-[3-(1H-pyrazol-5-yl)phenyl]benzenesulfonamide (CID 47062850) is 2-fluoro-5-methyl-N-[3-(1H-pyrazol-5-yl)phenyl]benzenesulfonamide.
What is the SMILES notation for 2-fluoro-5-methyl-N-[3-(1H-pyrazol-5-yl)phenyl]benzenesulfonamide?
The canonical SMILES for 2-fluoro-5-methyl-N-[3-(1H-pyrazol-5-yl)phenyl]benzenesulfonamide is Cc1ccc(F)c(S(=O)(=O)Nc2cccc(-c3ccn[nH]3)c2)c1.
What is the InChIKey of 2-fluoro-5-methyl-N-[3-(1H-pyrazol-5-yl)phenyl]benzenesulfonamide?
The InChIKey is BFDWGDGUIGRTSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN3O2S/c1-11-5-6-14(17)16(9-11)23(21,22)20-13-4-2-3-12(10-13)15-7-8-18-19-15/h2-10,20H,1H3,(H,18,19).
What are the key properties of 2-fluoro-5-methyl-N-[3-(1H-pyrazol-5-yl)phenyl]benzenesulfonamide?
2-fluoro-5-methyl-N-[3-(1H-pyrazol-5-yl)phenyl]benzenesulfonamide has a molecular weight of 331.37 g/mol, XLogP of 3.33, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-methyl-N-[3-(1H-pyrazol-5-yl)phenyl]benzenesulfonamide is sourced from PubChem (CID 47062850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).